4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride

C8H9ClO2S2 — CID 15158650

IUPAC4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c(s1)CCCC2
InChIInChI=1S/C8H9ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2
InChIKeyUUBSHLWNADKCBU-UHFFFAOYSA-N
MW236.74 g/mol
LogP2.55
Rot. Bonds1

About 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride

4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride (PubChem CID 15158650) has the molecular formula C8H9ClO2S2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride
PubChem CID15158650
Molecular FormulaC8H9ClO2S2
Molecular Weight236.74 g/mol
Exact Mass235.97
IUPAC Name4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2c(s1)CCCC2
InChIInChI=1S/C8H9ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2
InChIKeyUUBSHLWNADKCBU-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride?
The IUPAC name of 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride (CID 15158650) is 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1cc2c(s1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride?
The InChIKey is UUBSHLWNADKCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S2/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride?
4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride has a molecular weight of 236.74 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1-benzothiophene-2-sulfonyl chloride is sourced from PubChem (CID 15158650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).